(2S)-2-(phenylsulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile

Systemtic Name: (2S)-2-(phenylsulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanenitrile Openeye Name: (2S)-2-(benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile CAS Name: (2S)-2-(benzenesulfonyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile IUPAC Name: (2S)-2-(benzenesulfonyl)-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile Traditional Name: (2S)-2-besyl-2-(3-pyrrolidinoquinoxalin-2-yl)acetonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c21-14-18(27(25,26)15-8-2-1-3-9-15)19-20(24-12-6-7-13-24)23-17-11-5-4-10-16(17)22-19/h1-5,8-11,18H,6-7,12-13H2/t18-/m1/s1